SCHEMBL421799

SCHEMBL421799

CC(=O)OCCOC(OCCOC(C)=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
TSHR P16473 1/20 0.42
CHRM5 P08912 2/20 0.38
CHRM1 P11229 2/20 0.38
CHRM3 P20309 2/20 0.38
PGR P06401 1/20 0.38
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
HTR1A P08908 1/20 0.38
CHRNB2 P17787 1/20 0.38
TBXA2R P21731 1/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
CHRNA7 P36544 1/20 0.38
CHRNA4 P43681 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CHRNA10 Q9GZZ6 1/20 0.38
CHRNA9 Q9UGM1 1/20 0.38
GALR3 O60755 2/20 0.36
GAA P10253 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1065760 0.83 ALDH1A1 (0.52) ALDH1A1TSHRCHRM5CHRM1CHRM3
SCHEMBL1270603 0.79 ALDH1A1 (0.48) ALDH1A1TSHRCHRM5CHRM1CHRM3
SCHEMBL21567171 0.78 ALDH1A1 (0.39) ALDH1A1TSHRCHRM5CHRM1CHRM3
SCHEMBL23394670 0.78 ALDH1A1 (0.47) ALDH1A1TSHRCHRM5CHRM1CHRM3
SCHEMBL24778731 0.78 ALDH1A1 (0.47) ALDH1A1TSHRCHRM5CHRM1CHRM3
SCHEMBL13120306 0.77 ALDH1A1 (0.46) ALDH1A1TSHRCHRM5CHRM1CHRM3
SCHEMBL16247768 0.75 ALDH1A1 (0.45) ALDH1A1TSHRCHRM5CHRM1CHRM3
SCHEMBL464483 0.75 ALDH1A1 (0.56) ALDH1A1TSHRCHRM5CHRM1CHRM3
SCHEMBL64593 0.72 ALDH1A1 (0.68) ALDH1A1TSHRCHRM5CHRM1CHRM3
SCHEMBL330791 0.72 ALDH1A1 (0.50) ALDH1A1TSHRCHRM5CHRM1CHRM3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9914924-B2 Methods and compositions for treating neurological disease UNIVERSITY OF MASSACHUSETTS (US) 2018-03-13 US disclosed
US-8354524-B2 Synthesis of selenium-derivatized nucleosides, nucleotides, phosphoramidites, triphosphates and nucleic acids GEORGIA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2013-01-15 US disclosed
US-20120065387-A1 SYNTHESIS OF SELENIUM-DERIVATIZED NUCLEOSIDES, NUCLEOTIDES, PHOSPHORAMIDITES, TRIPHOSPHATES AND NUCLEIC ACIDS GEORGIA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2012-03-15 US disclosed
US-7982030-B2 Synthesis of selenium-derivatized nucleosides, nucleotides, phosphoramidites, triphosphates and nucleic acids GEORGIA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2011-07-19 US disclosed
US-20110166198-A1 RNA COMPOSITIONS FOR MODULATING IMMUNE RESPONSE ALNYLAM PHARMACEUTICALS, INC. (US) 2011-07-07 US disclosed
US-20100267941-A1 IRNA AGENTS WITH BIOCLEAVABLE TETHERS ALNYLAM PHARMACEUTICALS, INC. (US) 2010-10-21 US disclosed
US-20100267810-A1 METHODS AND COMPOSITIONS FOR TREATING NEUROLOGICAL DISEASE UNIVERSITY OF MASSACHUSETTS (US) 2010-10-21 US disclosed
US-20100137573-A1 SYNTHESIS OF SELENIUM-DERIVATIZED NUCLEOSIDES, NUCLEOTIDES, PHOSPHORAMIDITES, TRIPHOSPHATES AND NUCLEIC ACIDS GEORGIA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2010-06-03 US disclosed
US-7592446-B2 Useful in structural determinations, particularly by X-ray crystallographic techniques; useful as food supplements GEORGIA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2009-09-22 US disclosed
US-7592446-B2 Useful in structural determinations, particularly by X-ray crystallographic techniques; useful as food supplements GEORGIA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2009-09-22 US disclosed
US-7582744-B2 containing 2'-O-methyl modified nucleoside; oligonucleotide having a nucleotide sequence consisting of from 12 to 23 nucleotides in length sufficiently complementary to a microRNA target sequence of about 12 to 23 nucleotides, conjugate with a cholesterol or steroid; for inhibiting gene expression ALNYLAM PHARMACEUTICALS, INC. (US) 2009-09-01 US disclosed
US-20070179100-A1 Protected monomers ALNYLAM PHARMACEUTICALS, INC. 2007-08-02 US disclosed
US-20070105803-A1 Methods and compositions for treating neurological disease MASSACHUSETTS, UNIVERSITY OF 2007-05-10 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100137573-A1 SYNTHESIS OF SELENIUM-DERIVATIZED NUCLEOSIDES, NUCLEOTIDES, PHOSPHORAMIDITES, TRIPHOSPHATES AND NUCLEIC ACIDS SELENOI, RNGTT, NT5C3B ALDH1A1 3517/4885TSHR 1614/4885CHRM5 4234/4885
US-20110166198-A1 RNA COMPOSITIONS FOR MODULATING IMMUNE RESPONSE EIF2AK2, IRF3, NSUN2 ALDH1A1 4606/4885TSHR 2429/4885CHRM5 4267/4885
US-20100267810-A1 METHODS AND COMPOSITIONS FOR TREATING NEUROLOGICAL DISEASE SMN1; SMN2, CLN6, INA ALDH1A1 2103/4885TSHR 4453/4885CHRM5 4272/4885
US-20070105803-A1 Methods and compositions for treating neurological disease SMN1; SMN2, CLN6, INA ALDH1A1 2103/4885TSHR 4453/4885CHRM5 4272/4885
US-20100267941-A1 IRNA AGENTS WITH BIOCLEAVABLE TETHERS DCLRE1A, PARP1, LIG1 ALDH1A1 1003/4885TSHR 3048/4885CHRM5 4816/4885
US-20120065387-A1 SYNTHESIS OF SELENIUM-DERIVATIZED NUCLEOSIDES, NUCLEOTIDES, PHOSPHORAMIDITES, TRIPHOSPHATES AND NUCLEIC ACIDS SELENOI, RNGTT, NT5C3B ALDH1A1 3517/4885TSHR 1614/4885CHRM5 4234/4885
US-20070179100-A1 Protected monomers PCNA, POLN, PARP1 ALDH1A1 1923/4885TSHR 4147/4885CHRM5 4836/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.